CID 3070245

Brn 5988949

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20ClNO3/c1-12-18(23)15-9-10-17(24-4)16(11-22(2)3)20(15)25-19(12)13-5-7-14(21)8-6-13/h5-10H,11H2,1-4H3
InChIKey
SLACVLUCWZYDAK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-8-[(dimethylamino)methyl]-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11316 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 184.3
[M+Na]+ 380.10238 195.3
[M-H]- 356.10588 194.8
[M+NH4]+ 375.14698 198.9
[M+K]+ 396.07632 191.7
[M+H-H2O]+ 340.11042 176.2
[M+HCOO]- 402.11136 203.0
[M+CH3COO]- 416.12701 222.2
[M+Na-2H]- 378.08783 187.6
[M]+ 357.11261 193.6
[M]- 357.11371 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.